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Auxiliary matrix formalism for interaction representation transformations, optimal control, and spin relaxation theories.
Goodwin, D L; Kuprov, Ilya.
Afiliação
  • Goodwin DL; School of Chemistry, University of Southampton, Highfield Campus, Southampton SO17 1BJ, United Kingdom.
  • Kuprov I; School of Chemistry, University of Southampton, Highfield Campus, Southampton SO17 1BJ, United Kingdom.
J Chem Phys ; 143(8): 084113, 2015 Aug 28.
Article em En | MEDLINE | ID: mdl-26328824
Auxiliary matrix exponential method is used to derive simple and numerically efficient general expressions for the following, historically rather cumbersome, and hard to compute, theoretical methods: (1) average Hamiltonian theory following interaction representation transformations; (2) Bloch-Redfield-Wangsness theory of nuclear and electron relaxation; (3) gradient ascent pulse engineering version of quantum optimal control theory. In the context of spin dynamics, the auxiliary matrix exponential method is more efficient than methods based on matrix factorizations and also exhibits more favourable complexity scaling with the dimension of the Hamiltonian matrix.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2015 Tipo de documento: Article País de afiliação: Reino Unido País de publicação: Estados Unidos

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2015 Tipo de documento: Article País de afiliação: Reino Unido País de publicação: Estados Unidos